SCHEMBL7615068

SCHEMBL7615068

N#Cc1ccc(-c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)cc1.[NaH]

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.79
MMP9 P14780 11/20 0.79
ADAMTS4 O75173 2/20 0.79
MMP13 P45452 4/20 0.70
MMP1 P03956 3/20 0.70
MMP3 P08254 3/20 0.70
MMP7 P09237 3/20 0.70
ADAMTS5 Q9UNA0 1/20 0.70
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
POLB P06746 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7615081 1.00 MMP2 (0.79) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL7615070 0.89 MMP2 (0.65) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL6545297 0.89 MMP2 (1.00) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL32691761 0.89 MMP2 (1.00) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL1920507 0.89 MMP2 (1.00) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL28690186 0.84 TDP1 (0.72) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL28690184 0.84 TDP1 (0.72) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL9710605 0.83 MMP2 (0.61) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL7300647 0.83 MMP2 (0.61) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL4422501 0.83 MMP2 (1.00) MMP2MMP9ADAMTS4MMP13MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed